Edinburgh Research Explorer

Graeme Ackland

Chair in Computer Simulation

  1. 2017
  2. monteswitch: A package for evaluating solid-solid free energy differences via lattice-switch Monte Carlo

    Underwood, T. L. & Ackland, G. J., 1 Jun 2017, In : Computer Physics Communications. 215, p. 204-222 19 p.

    Research output: Contribution to journalArticle

  3. Infrared Peak Splitting from Phonon Localization in Solid Hydrogen

    Magdău, I. B. & Ackland, G. J., 7 Apr 2017, In : Physical Review Letters. 118, 14, 145701.

    Research output: Contribution to journalArticle

  4. Simple thermodynamic model for the hydrogen phase diagram

    Magdau, I. B., Marques, M., Borgulya, B. & Ackland, G. J., 13 Mar 2017, In : Physical Review B: Condensed Matter and Materials Physics. 95, 9, 7 p., 094107.

    Research output: Contribution to journalArticle

  5. 2016
  6. Development of an interatomic potential for the simulation of Defects, Plasticity and Phase Transformations in Titanium

    Mendelev, M. I., Underwood, T. & Ackland, G., 17 Oct 2016, In : The Journal of Chemical Physics. 145, 15, 11 p., 154102.

    Research output: Contribution to journalArticle

  7. Rapid Equilibration by algorithmic quenching the ringing mode in molecular dynamics

    Ackland, G., 23 May 2016, In : MRS Advances. p. 1-9 9 p.

    Research output: Contribution to journalArticle

  8. Property trends in simple metals: An empirical potential approach

    Nichol, A. & Ackland, G. J., 2 May 2016, In : Physical Review B. 93, 18, 6 p., 184101.

    Research output: Contribution to journalArticle

  9. 2015
  10. Lattice-switch Monte Carlo: the fcc-bcc problem

    Underwood, T. L. & Ackland, G. J., 3 Dec 2015, In : Journal of Physics: Conference Series. 640, 1, 012030.

    Research output: Contribution to journalArticle

  11. Theory of high pressure hydrogen, made simple

    Magdau, I. B., Balm, F. & Ackland, G. J., 1 Dec 2015, In : Journal of Physics: Conference Series. 950, 7 p., 042059.

    Research output: Contribution to journalArticle

  12. High temperature oxidation resistance in titanium-niobium alloys

    Tegner, B. E., Zhu, L., Siemers, C., Saksl, K. & Ackland, G. J., 15 Sep 2015, In : Journal of alloys and compounds. 643, p. 100-105 6 p.

    Research output: Contribution to journalArticle

  13. Transition metal solute interactions with point defects in fcc iron from first principles

    Hepburn, D. J., MacLeod, E. & Ackland, G. J., 13 Jul 2015, In : Physical Review B: Condensed Matter and Materials Physics. 92, 1, 19 p., 014110.

    Research output: Contribution to journalArticle

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